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Z3L

Z3L
Name:	2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
Formula:	C14 H20 O10
SMILES:	O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:	InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose

TTV

TTV
Name:	beta-D-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1(CO)OC(CO)C(O)C1O
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1
Synonyms:	beta-D-psicose
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	beta-D-psicofuranose

WOO

WOO
Name:	beta-L-allopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m0/s1
Synonyms:	beta-L-allose
Definition date:	2014-07-23
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	beta-L-allopyranose

ULV

ULV
Name:	4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C26 H22 F3 N7 O3
SMILES:	n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N
InChi:	InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Z3Q

Z3Q
Name:	2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C10 H18 N4 O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OCCN=[N+]=[N-])CO)C
InChi:	InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Definition date:	2012-12-20
Last modified:	2020-07-17
Release date:	2016-03-23
Identifier:	2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

SMD

SMD
Name:	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Formula:	C13 H24 O10 S
SMILES:	S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
Definition date:	2004-09-03
Last modified:	2020-07-17
Identifier:	methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside

V01

V01
Name:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
Formula:	C24 H21 N5 O4
SMILES:	O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5
InChi:	InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)
Definition date:	2020-06-09
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

TTZ

TTZ
Name:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Formula:	C13 H22 N2 O9 S
SMILES:	OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:	InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
Synonyms:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
Definition date:	2007-02-07
Last modified:	2020-07-17
Identifier:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine

Z3U

Z3U
Name:	beta-D-Digitoxopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)CC1O)C
InChi:	InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-Digitoxose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,6-dideoxy-beta-D-ribo-hexopyranose

PSG

PSG
Name:	4-nitrophenyl 1-thio-beta-D-glucopyranoside
Formula:	C12 H15 N O7 S
SMILES:	[O-][N+](=O)c2ccc(SC1OC(C(O)C(O)C1O)CO)cc2
InChi:	InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
Synonyms:	PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
Definition date:	2000-05-03
Last modified:	2020-07-17
Identifier:	4-nitrophenyl 1-thio-beta-D-glucopyranoside

ULY

ULY
Name:	4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C28 H26 F3 N7 O3
SMILES:	n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O
InChi:	InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

TU4

TU4
Name:	3-O-octanoyl-alpha-D-glucopyranose
Formula:	C14 H26 O7
SMILES:	C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1
Definition date:	2020-03-31
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	3-O-octanoyl-alpha-D-glucopyranose

TFU

TFU
Name:	methyl 1-seleno-beta-L-fucopyranoside
Formula:	C7 H14 O4 Se
SMILES:	C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol
Definition date:	2015-11-12
Last modified:	2020-07-17
Release date:	2016-06-29
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol

Z4K

Z4K
Name:	2-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O9 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)CO)O
InChi:	InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2-O-sulfo-alpha-D-glucose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2016-11-02
Identifier:	2-O-sulfo-alpha-D-glucopyranose

UM4

UM4
Name:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Formula:	C30 H28 F3 N7 O3
SMILES:	n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N
InChi:	InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Z4R

Z4R
Name:	methyl 3-thio-alpha-D-mannopyranoside
Formula:	C7 H14 O5 S
SMILES:	OC1C(S)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O5S/c1-11-7-5(10)6(13)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2012-12-19
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 3-thio-alpha-D-mannopyranoside

Z4S

Z4S
Name:	1,6-anhydro-N-acetyl-beta-D-glucopyranosamine
Formula:	C8 H13 N O5
SMILES:	O=C(NC2C(O)C(O)C1OC2OC1)C
InChi:	InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2018-03-14
Identifier:	N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)

Z4U

Z4U
Name:	methyl 4-thio-alpha-D-xylopyranoside
Formula:	C6 H12 O4 S
SMILES:	OC1C(O)C(S)COC1OC
InChi:	InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 4-thio-alpha-D-xylopyranoside

Z4V

Z4V
Name:	4-thio-beta-L-ribopyranose
Formula:	C5 H10 O4 S
SMILES:	OC1C(S)COC(O)C1O
InChi:	InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3-,4-,5-/m0/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4-thio-beta-L-ribopyranose

S7P

S7P
Name:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose
Definition date:	2014-08-28
Last modified:	2020-07-17
Release date:	2015-08-12
Identifier:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose

X4S

X4S
Name:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyr anose
Formula:	C20 H34 O14 S3
SMILES:	S(C2COC(SC1C(O)C(O)C(O)OC1)C(O)C2O)C4OCC(SC3OCC(O)C(O)C3O)C(O)C4O
InChi:	InChI=1S/C20H34O14S3/c21-5-1-32-18(14(27)9(5)22)36-7-3-34-20(16(29)11(7)24)37-8-4-33-19(15(28)12(8)25)35-6-2-31-17(30)13(26)10(6)23/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20+/m1/s1
Synonyms:	thio-linked xylotetraose
Definition date:	2008-06-18
Last modified:	2020-07-17
Identifier:	beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranose

TUG

TUG
Name:	3,4-di-O-sulfo-alpha-D-altropyranose
Formula:	C6 H12 O12 S2
SMILES:	OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)O
InChi:	InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5+,6+/m1/s1
Definition date:	2020-03-31
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	3,4-di-O-sulfo-alpha-D-altropyranose

SMV

SMV
Name:	thiophene-2-carbothioamide
Formula:	C5 H5 N S2
SMILES:	NC(=S)c1sccc1
InChi:	InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	thiophene-2-carbothioamide

PSV

PSV
Name:	alpha-D-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1
Synonyms:	alpha-D-psicose
Definition date:	2009-09-10
Last modified:	2020-07-17
Identifier:	alpha-D-psicofuranose

Z57

Z57
Name:	(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Br O7
SMILES:	Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15BrO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol

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